N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide

C27H35N3O3 — CID 53117776

About N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 53117776) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 53117776
• Molecular Formula: C27H35N3O3
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.27
• IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
• SMILES: CCOc1ccccc1CNC(=O)C1CCN(Cc2cn(CC)c3ccc(OC)cc23)CC1
• InChI: InChI=1S/C27H35N3O3/c1-4-30-19-22(24-16-23(32-3)10-11-25(24)30)18-29-14-12-20(13-15-29)27(31)28-17-21-8-6-7-9-26(21)33-5-2/h6-11,16,19-20H,4-5,12-15,17-18H2,1-3H3,(H,28,31)
• InChIKey: ZTQVPGUFHSJSMP-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 55.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide (CID 53117776) is N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(Cc2cn(CC)c3ccc(OC)cc23)CC1.

What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide?

The InChIKey is ZTQVPGUFHSJSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-4-30-19-22(24-16-23(32-3)10-11-25(24)30)18-29-14-12-20(13-15-29)27(31)28-17-21-8-6-7-9-26(21)33-5-2/h6-11,16,19-20H,4-5,12-15,17-18H2,1-3H3,(H,28,31).

What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide?

N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53117776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).